SCHEMBL1893868

SCHEMBL1893868

COc1ccc2c(c1OC)C1CN(Cc3ccccc3)CC1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ACHE P22303 2/20 0.44
FAAH O00519 1/20 0.43
ABCC4 O15439 1/20 0.43
CACNA1F O60840 1/20 0.43
PDE5A O76074 1/20 0.43
ABCB11 O95342 1/20 0.43
APP P05067 1/20 0.43
BCHE P06276 1/20 0.43
CHRM2 P08172 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2C P18825 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1893101 0.86 BCHE (0.43) DRD2ACHEBCHEDRD4BACE1
SCHEMBL1894252 0.78 ACHE (0.53) HTR2BSIGMAR1ACHEFAAHABCC4
SCHEMBL1895668 0.77 DRD2 (0.58) HTR2BSIGMAR1DRD2HTR2AHTR2C
SCHEMBL1897604 0.76 PNMT (0.43) HTR2BSIGMAR1DRD2HTR2AHTR2C
SCHEMBL1889931 0.76 S1PR5 (0.44) HTR2BSIGMAR1DRD2HTR2AHTR2C
SCHEMBL1894466 0.74 SIGMAR1 (0.44) HTR2BSIGMAR1DRD2HTR2AHTR2C
SCHEMBL8317312 0.72 SLC6A12 (0.50) SIGMAR1DRD2ACHEBCHEBACE1
SCHEMBL8317313 0.72 SLC6A12 (0.50) SIGMAR1DRD2ACHEBCHEBACE1
Hydrochloric Acid SCHEMBL10828111 0.71 DRD2 (0.49) DRD2ACHEBCHEBACE1
SCHEMBL8497892 0.71 DRD2 (0.50) HTR2BSIGMAR1DRD2HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096520-B2 Tricyclic ideno-pyrrole derivatives as serotonin receptor modulators ABT HOLDING COMPANY (US) 2015-08-04 US disclosed
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ABT HOLDING COMPANY (US) 2014-07-24 US disclosed
US-8716324-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2014-05-06 US disclosed
US-20120252859-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators ATHERSYS, INC. (US) 2012-10-04 US disclosed
US-8232311-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2012-07-31 US disclosed
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators BENNANI YOUSSEF L 2011-07-14 US disclosed
US-7935830-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2011-05-03 US disclosed
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. 2009-09-24 US disclosed
EP-1841738-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-10-10 EP disclosed
WO-2007081299-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2007-07-19 WO disclosed
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252859-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E HTR2B 18/4885SIGMAR1 459/4885DRD2 71/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E HTR2B 18/4885SIGMAR1 459/4885DRD2 71/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E HTR2B 18/4885SIGMAR1 459/4885DRD2 71/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E HTR2B 18/4885SIGMAR1 459/4885DRD2 71/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E HTR2B 18/4885SIGMAR1 459/4885DRD2 71/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.